4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C25H34N2O2S2 — CID 60619683

IUPAC4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(CC1CCCCC1)NC1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1
InChIInChI=1S/C25H34N2O2S2/c28-24(16-19-6-2-1-3-7-19)26-21-12-10-20(11-13-21)25(29)27(17-22-8-4-14-30-22)18-23-9-5-15-31-23/h4-5,8-9,14-15,19-21H,1-3,6-7,10-13,16-18H2,(H,26,28)
InChIKeyOYKFUYCFJBWWRY-UHFFFAOYSA-N
MW458.69 g/mol
LogP5.98
Rot. Bonds8

About 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 60619683) has the molecular formula C25H34N2O2S2 and a molecular weight of 458.69 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID60619683
Molecular FormulaC25H34N2O2S2
Molecular Weight458.69 g/mol
Exact Mass458.21
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(CC1CCCCC1)NC1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1
InChIInChI=1S/C25H34N2O2S2/c28-24(16-19-6-2-1-3-7-19)26-21-12-10-20(11-13-21)25(29)27(17-22-8-4-14-30-22)18-23-9-5-15-31-23/h4-5,8-9,14-15,19-21H,1-3,6-7,10-13,16-18H2,(H,26,28)
InChIKeyOYKFUYCFJBWWRY-UHFFFAOYSA-N
XLogP5.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
CID 60619843
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide
CID 60547622
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
2-cyclohexyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111351459
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 86877844
N-[2-(cyclohexylamino)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 1153883
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 60619683) is 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is O=C(CC1CCCCC1)NC1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is OYKFUYCFJBWWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S2/c28-24(16-19-6-2-1-3-7-19)26-21-12-10-20(11-13-21)25(29)27(17-22-8-4-14-30-22)18-23-9-5-15-31-23/h4-5,8-9,14-15,19-21H,1-3,6-7,10-13,16-18H2,(H,26,28).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 458.69 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60619683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).